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Crystallographic and microstructural properties of Ho(Ni,Co,Mn)Oδ perovskite-type multiferroic material are reported. Samples were synthesized with a modified polymeric precursor method. The synchrotron X-ray powder diffraction (SXRPD) technique associated to Rietveld refinement method was used to perform structural characterization. The crystallographic structures, as well as microstructural properties, were studied to determine unit cell parameters and volume, angles and atomic positions, crystallite size and strain. X-ray energies below the absorption edges of the transition metals helped to determine the mean preferred atomic occupancy for the substituent atoms. Furthermore, analyzing the degree of distortion of the polyhedra centered at the transitions metal atoms led to understanding the structural model of the synthesized phase. X-ray photoelectron spectroscopy (XPS) was performed to evaluate the valence states of the elements, and the tolerance factor and oxygen content. The obtained results indicated a small decrease distortion in structure, close to the HoMnO3 basis compound. In addition, the substituent atoms showed the same distribution and, on average, preferentially occupied the center of the unit cell.


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Modeling the crystallographic structure of Ho(Ni,Co,Mn)Oδ perovskite-type manganite

Show Author's information C. Morilla-SantosaF. F. FerreirabW. H. SchreinercO. PeñadP. N. Lisboa-Filhoe,*( )
UNESP - Univ Estadual Paulista, POSMAT - Programa de Pós-Graduação em Ciência e Tecnologia de Materiais, Bauru, Brazil
UFABC - Universidade Federal do ABC - Centro de Ciências Naturais e Humanas, Santo André, Brazil
UFPR - Universidade Federal do Paraná, Departamento de Física, Curitiba, Brazil
Sciences Chimies de Rennes UMR 6226, Université de Rennes 1, Rennes, France
UNESP - Univ Estadual Paulista, Faculdade de Ciências, Departamento de Física, Bauru, Brazil

Abstract

Crystallographic and microstructural properties of Ho(Ni,Co,Mn)Oδ perovskite-type multiferroic material are reported. Samples were synthesized with a modified polymeric precursor method. The synchrotron X-ray powder diffraction (SXRPD) technique associated to Rietveld refinement method was used to perform structural characterization. The crystallographic structures, as well as microstructural properties, were studied to determine unit cell parameters and volume, angles and atomic positions, crystallite size and strain. X-ray energies below the absorption edges of the transition metals helped to determine the mean preferred atomic occupancy for the substituent atoms. Furthermore, analyzing the degree of distortion of the polyhedra centered at the transitions metal atoms led to understanding the structural model of the synthesized phase. X-ray photoelectron spectroscopy (XPS) was performed to evaluate the valence states of the elements, and the tolerance factor and oxygen content. The obtained results indicated a small decrease distortion in structure, close to the HoMnO3 basis compound. In addition, the substituent atoms showed the same distribution and, on average, preferentially occupied the center of the unit cell.

Keywords:

crystallographic structure, X-ray powder diffraction, Rietveld refinement, manganites
Received: 01 September 2012 Accepted: 03 November 2012 Published: 09 January 2013 Issue date: December 2012
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Publication history

Received: 01 September 2012
Accepted: 03 November 2012
Published: 09 January 2013
Issue date: December 2012

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© The author(s) 2012

Acknowledgements

The authors acknowledge the financial support of the Brazilian funding agencies CNPq and FAPESP, and thank for CAPES-COFECUB exchange program (706/2011).

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